SCHEMBL362066

SCHEMBL362066

Cc1nn2c(SCc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc3c2c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
PDE10A Q9Y233 2/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
GLA P06280 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP1 P29466 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL363611 0.83 PDE10A (0.62) MAPTPDE10ALMNATP53ALDH1A1
SCHEMBL363615 0.83 PDE10A (0.48) PDE10AALDH1A1MEN1KMT2ATSHR
SCHEMBL363347 0.72 PDE10A (0.61) PDE10ATP53ALDH1A1KDM4EHPGD
SCHEMBL369870 0.69 PDE10A (0.64) MAPTPDE10ALMNATP53ALDH1A1
SCHEMBL362739 0.68 PDE10A (0.56) PDE10A
SCHEMBL10099692 0.66 MAPT (0.72) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL361704 0.65 PDE10A (0.60) PDE10A
SCHEMBL10099716 0.64 EGFR (0.46) MAPTPDE10ALMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL8011144 0.63 LMNA (0.71) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL8363128 0.62 PDE10A (0.58) MAPTPDE10ALMNATP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO claimed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed